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Template Talk:Chembox/Archive 9
CAS: 108-01-0 | C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-01-0
Molecular Formula:
C4H11NO
Molecular Mass:
89.14 g/mol
Names and Synonyms:
Template Talk:Chembox/Archive 9
Ethanol, 2-(dimethylamino)-
2-(Dimethylamino)ethanol
Deanol
(N,N-Dimethylamino)ethanol
β-Dimethylaminoethyl alcohol
N,N-Dimethylethanolamine
DMAE
β-Hydroxyethyldimethylamine
Bimanol
β-(Dimethylamino)ethanol
(Dimethylamino)ethanol
Dimethyl(2-hydroxyethyl)amine
Propamine A
N-(2-Hydroxyethyl)dimethylamine
2-(N,N-Dimethylamino)ethanol
(2-Hydroxyethyl)dimethylamine
N,N-Dimethyl-2-aminoethanol
Dimethylmonoethanolamine
N,N-Dimethyl(2-hydroxyethyl)amine
Norcholine
N,N-Dimethyl-N-(β-hydroxyethyl)amine
Dimethyl(hydroxyethyl)amine
Kalpur P
Amietol M 21
N,N-Dimethyl-β-hydroxyethylamine
Dimethol
Texacat DME
Dimethylethanolamine
Rexolin
2-(Dimethylamino)ethyl alcohol
Thancat DME
DMEA
N-(2-Hydroxyethyl)-N,N-dimethylamine
PC CAT DMEA
Dabco DMEA
NSC 2652
Aminoalcohol 2mabs
Jeffcat DMEA
Texacat DMEA
Niax DMEA
Lupragen N 101
Tegoamin DMEA
T 80
N,N-Dimethyl-2-ethanolamine
DeuAdd MA 95
MA 95
Dimethyl MEA
Identifiers:
SMILES:
CN(C)CCO
InChI:
InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
Key Properties
Boiling Point
135 °C @ Press: 758 Torr
CAS Common Chemistry
Melting Point
-59 °C
CAS Common Chemistry
Density
0.89 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.14 g/mol | CAS Common Chemistry |
| 89.13799999999999 g/mol | RDKit | |
| 89.084063972 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8866 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Template_talk:Chembox/Archive_9 | CAS Common Chemistry |
| Boiling Point | 135 °C @ Press: 758 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UEEJHVSXFDXPFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -59 °C | CAS Common Chemistry |
| Name | 2-(Dimethylamino)ethanol | CAS Common Chemistry |
| Template talk:Chembox/Archive 9 | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | -0.45970000000000016 | RDKit |
| Molar Refractivity | 25.63979999999999 | RDKit |
